4-chloro-N-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]phenylalanine
Chemical Structure Depiction of
4-chloro-N-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]phenylalanine
4-chloro-N-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]phenylalanine
Compound characteristics
| Compound ID: | Y040-3987 |
| Compound Name: | 4-chloro-N-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]phenylalanine |
| Molecular Weight: | 481.93 |
| Molecular Formula: | C26 H24 Cl N O6 |
| Smiles: | CC1=C(CC(NC(Cc2ccc(cc2)[Cl])C(O)=O)=O)C(=O)Oc2c1cc1c(C)c(C)oc1c2C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8051 |
| logD: | 0.2145 |
| logSw: | -4.2171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.263 |
| InChI Key: | UCEJHYIZTPOBNE-NRFANRHFSA-N |